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1327851
 
#1

AsisChem: ASIS-0006
AsisChem Building Blocks: ASIS-0006
Asinex (Depleted): ASN07113625
ChemDB: 3955100
PubChem: 1431110...6 total

ref: mol2, SDF, SMILES, flexibase
4.49,8.45,-18.47,1,7,0, 462.556, 6
lo: mol2, SDF, SMILES, flexibase
4.49,8.72,-35.76,2,7,1, 463.564, 6

Similar to: 35313203, 39982159,
1562567
 
#2

AsisChem: ASIS-0007
NCI Plated 2007: 275656
ChEMBL19: CHEMBL2003457
ChemDB: 4910057
Leadscope via PubChem: LS-185035...7 total

ref: mol2, SDF, SMILES, flexibase
0.52,-12.18,-13.09,2,9,0, 322.369, 5

Similar to: 39245263, 39245264,
96007011
 
#3

AsisChem: ASIS-0008
AsisChem Building Blocks: ASIS-0008
SureChEMBL: SCHEMBL1389406
ref: mol2, SDF, SMILES, flexibase
0.58,-0.56,-5.62,1,2,0, 165.283, 2
lo: mol2, SDF, SMILES, flexibase
0.58,1.7,-33.95,2,2,1, 166.291, 2
31308455
 
#4

AsisChem: ASIS-0009
AsisChem Building Blocks: ASIS-0009
Florida Heterocyclic Compounds: 181
Tractus: TRA0155480
Alfa Chemistry (Depleted): ACM6302949...10 total

ref: mol2, SDF, SMILES, flexibase
1.22,1.98,-3.14,0,1,0, 135.257, 0

Similar to: 1672780,
1723284
 
#5

eMolecules: 1335969
Molport: MolPort-001-538-046
Scientific Exchange (make on demand): Q-036789
AKOS: AKOS000493883
Alinda: IBS-L0047674...24 total

ref: mol2, SDF, SMILES, flexibase
4.15,5.32,-17.24,2,6,0, 424.588, 11

Similar to: 32192305, 34398904, 34459707, 34565056, 34571007, ... 13 in total.
3093786
 
#6

eMolecules: 838321
Molport: MolPort-000-871-668
AK Scientific: 7805AE, HTS007651
AKOS: AKOS000266298
Aldrich CPR: TMT00593|ALDRICH...42 total

ref: mol2, SDF, SMILES, flexibase
1.76,2.63,-12.94,1,4,0, 229.663, 4

Similar to: 39284196,
1719471
 
#7

AsisChem: ASIS-0015
Chembo Pharma: KB-37361
NCI Plated 2007: 132000
ChemDB: 5145982
Debye Scientific BB (Depleted): DB-006728...7 total

ref: mol2, SDF, SMILES, flexibase
2.74,0.93,-8.18,0,1,0, 227.101, 4

Similar to: 39256529,
5220203
 
#8

eMolecules: 25837195
Molport: MolPort-002-129-825
Aldrich CPR: R277002|ALDRICH
AsisChem: ASIS-0018
AsisChem Building Blocks: ASIS-0018...16 total

ref: mol2, SDF, SMILES, flexibase
-0.71,-8.87,-29.59,5,8,0, 350.381, 3

Similar to: 38604635, 38604638, 38604641, 38604644, ... 5 in total.
168665
 
#9

Aldrich CPR: CDS016531|ALDRICH
Ark Pharm Building Blocks: AK-69077
AsisChem: ASIS-0023
Chembo Pharma: KB-235598
Key Organics Building Blocks: 3L-021...24 total

ref: mol2, SDF, SMILES, flexibase
1.55,1.12,-10.9,2,4,0, 221.647, 2

Similar to: 34225193,
1081548
 
#10

AK Scientific: 6367AE
AKOS: AKOS000140799
AsisChem: ASIS-0024
Chembo Pharma: KB-240395
Element Store BB: b2star-59404-86-3...17 total

ref: mol2, SDF, SMILES, flexibase
3.27,-0.77,-5.92,2,2,0, 233.698, 3

Similar to: 34571368, 36669582, 39329706,
96007012
 
#11

AsisChem: ASIS-0027
AsisChem Building Blocks: ASIS-0027
ref: mol2, SDF, SMILES, flexibase
4.40,7.07,-13.62,2,6,0, 366.398, 4
hi: mol2, SDF, SMILES, flexibase
4.40,7.98,-54.96,1,6,-1, 365.39, 4
71789994
 
#12

AsisChem: ASIS-0028
AsisChem Building Blocks: ASIS-0028
Chembo Pharma: KB-87586
Enamine Building Blocks: EN300-199441
Molport BB: MolPort-027-946-139...10 total

ref: mol2, SDF, SMILES, flexibase
1.17,1.9,-9.26,1,3,0, 147.133, 1
mid: mol2, SDF, SMILES, flexibase
1.17,2.68,-35.39,0,3,-1, 146.125, 1
32166489
 
#13

AsisChem: ASIS-0030
AsisChem Building Blocks: ASIS-0030
PubChem: 528386
SureChEMBL: SCHEMBL658824
Enamine BB Make on Demand: BBV-40047762...6 total

ref: mol2, SDF, SMILES, flexibase
2.72,2.47,-6.01,1,2,0, 191.013, 1
mid: mol2, SDF, SMILES, flexibase
2.72,4.81,-44.71,0,2,-1, 190.005, 1

Similar to: 4290814,
16249
 
#14

AsisChem: ASIS-0033
AsisChem Building Blocks: ASIS-0033
PubChem: 194006
SureChEMBL: SCHEMBL5862656
ref: mol2, SDF, SMILES, flexibase
2.91,0.3,-12.58,0,4,0, 304.349, 2

Similar to: 38493151, 38778382,
5140015
 
#15

AsisChem: ASIS-0034
AsisChem Building Blocks: ASIS-0034
PubChem: 189144, 613105
SureChEMBL: SCHEMBL2761995
ref: mol2, SDF, SMILES, flexibase
2.58,6.38,-12.29,1,4,0, 306.365, 2
lo: mol2, SDF, SMILES, flexibase
2.58,6.63,-39.74,2,4,1, 307.373, 2

Similar to: 38226875, 38226877, 38429828, 38429829, 38429830, ... 10 in total.
16250
 
#16

AsisChem: ASIS-0034
AsisChem Building Blocks: ASIS-0034
PubChem: 613105, 11449620
SureChEMBL: SCHEMBL2761995
ref: mol2, SDF, SMILES, flexibase
2.58,-2.2,-12.28,1,4,0, 306.365, 2

Similar to: 3954245, 13284239, 38226875, 38226877, 38429828, ... 14 in total.
96007018
 
#17

AsisChem: ASIS-0035
AsisChem Building Blocks: ASIS-0035
ref: mol2, SDF, SMILES, flexibase
1.38,2.53,-6.26,1,2,0, 174.265, 2
96007020
 
#18

AsisChem: ASIS-0036
AsisChem Building Blocks: ASIS-0036
ref: mol2, SDF, SMILES, flexibase
2.95,12.3,-10.15,0,6,0, 300.41, 5
lo: mol2, SDF, SMILES, flexibase
2.95,12.61,-30.14,1,6,1, 301.418, 5
lo: mol2, SDF, SMILES, flexibase
2.95,12.93,-66.75,2,6,2, 302.426, 5
1682827
 
#19

Scientific Exchange (make on demand): POD_09/0382
AKOS: AKOS001423726
Alinda Building Blocks: ALBB-014167
Anward: ANW-58250
Ark Pharm Building Blocks: AK-84633...27 total

ref: mol2, SDF, SMILES, flexibase
0.31,-5.63,-16.9,2,6,0, 254.267, 3

Similar to: 26478862, 34225974, 36745864, 36745865, 36746148, ... 5 in total.
38136966
 
#20

eMolecules: 36084722
Molport: MolPort-013-979-099
AsisChem: ASIS-0050
AsisChem Building Blocks: ASIS-0050
Enamine Building Blocks: EN300-73974...12 total

ref: mol2, SDF, SMILES, flexibase
-1.04,-2.87,-17.44,2,5,0, 153.159, 3

Similar to: 43446735,
80444029
 
#21

Molport: MolPort-019-878-179
AK Scientific: Z2343
Apexmol Building Blocks: AM98001
AsisChem: ASIS-0051
Chembo Pharma: KB-82478...10 total

ref: mol2, SDF, SMILES, flexibase
2.55,6.54,-7.78,0,4,0, 259.371, 4
97053514
 
#22

Molport: MolPort-030-004-812
AsisChem: ASIS-0052
Enamine Building Blocks: EN300-174058
SureChEMBL: SCHEMBL56404
ref: mol2, SDF, SMILES, flexibase
0.55,0.45,-15.96,2,6,0, 264.347, 3
74309311
 
#23

AsisChem: ASIS-0054
SureChEMBL: SCHEMBL11337638
ref: mol2, SDF, SMILES, flexibase
2.63,6,-8.67,0,2,0, 174.199, 1
35569664
 
#24

Molport: MolPort-020-007-382
AK Scientific: 3572AC
Anward: ANW-56958
Ark Pharm Building Blocks: AK-99902
AsisChem: ASIS-0055...13 total

ref: mol2, SDF, SMILES, flexibase
1.50,1.14,-10.55,0,3,0, 147.133, 1
70187365
 
#25

AsisChem: ASIS-0056
AsisChem Building Blocks: ASIS-0056
Chembo Pharma: KB-123230
Chemstep: 11488
Enamine Building Blocks: EN300-159641...9 total

ref: mol2, SDF, SMILES, flexibase
0.84,1.03,-11.27,2,4,0, 162.148, 1
4610842
 
#26

eMolecules: 8242683
Molport: MolPort-002-819-152
AsisChem: ASIS-0057
Mcule: MCULE-6100874845
Ryan Scientific (Depleted): 003-11579...11 total

ref: mol2, SDF, SMILES, flexibase
4.29,0.13,-3.45,0,0,0, 241.153, 0
2548706
 
#27

AK Scientific: X9386
AKOS: AKOS015842595
Aldrich CPR: CDS015937|ALDRICH
Anward: ANW-48378
Ark Pharm Building Blocks: AK-77814...34 total

ref: mol2, SDF, SMILES, flexibase
4.07,7.07,-3.06,0,0,0, 227.126, 0

Similar to: 5770806, 5844198,
60138128
 
#28

AsisChem: ASIS-0060
PubChem: 18691571
SureChEMBL: SCHEMBL6974981
ref: mol2, SDF, SMILES, flexibase
3.05,6.19,-7.32,0,1,0, 176.24, 1
5765023
 
#29

AK Scientific: X5138
Angene Building Blocks: AGN-PC-0BVGUV
Ark Pharm Building Blocks: AK-68169
AsisChem: ASIS-0061
AsisChem Building Blocks: ASIS-0061...21 total

ref: mol2, SDF, SMILES, flexibase
0.67,0.52,-6.2,0,2,0, 97.117, 0

Similar to: 20443741, 33378851, 49584864,
39068962
 
#30

AsisChem: ASIS-0062
Chemstep: 34245
PubChem: 12691730
ref: mol2, SDF, SMILES, flexibase
0.81,1.65,-8.47,0,3,0, 139.154, 1
95635252
 
#31

AsisChem: ASIS-0063
Tractus: TRA0162058
ref: mol2, SDF, SMILES, flexibase
0.59,0.8,-8.55,0,3,0, 145.545, 2
39067134
 
#32

AK Scientific: W8389
Anward: ANW-47788
Apexmol Building Blocks: AM85910
Ark Pharm Building Blocks: AK-68740
AsisChem: ASIS-0064...25 total

ref: mol2, SDF, SMILES, flexibase
0.36,0.2,-8.15,0,3,0, 111.1, 1
333062
 
#33

AKOS: AKOS003617475
Anward: ANW-21932
AsisChem: ASIS-0067
BOC Sciences BB: 1614-11-5
Chembo Pharma: KB-20271...18 total

ref: mol2, SDF, SMILES, flexibase
0.74,0.87,-8.66,2,4,0, 134.142, 0
34561808
 
#34

AsisChem: ASIS-0082
Chemstep: 51774
Tractus: TRA0030966
BOC Sciences BB (Depleted): 167216-22-0
PubChem: 15473340...6 total

ref: mol2, SDF, SMILES, flexibase
1.58,0.28,-5.8,2,4,0, 203.282, 5

Similar to: 21993384, 21993387, 32099042, 32099043, ... 4 in total.
38995478
 
#35

AsisChem: ASIS-0084
AsisChem Building Blocks: ASIS-0084
SureChEMBL: SCHEMBL1359190
ref: mol2, SDF, SMILES, flexibase
1.54,0.72,-3.54,0,2,0, 127.187, 0
25756785
 
#36

AK Scientific: Z6093
AsisChem: ASIS-0086
AsisChem Building Blocks: ASIS-0086
BroadPharm: BP-20974
Sigma Aldrich (Building Blocks): 644285|ALDRICH...9 total

ref: mol2, SDF, SMILES, flexibase
1.14,3.37,-13.62,0,6,0, 318.391, 11

Similar to: 38559069, 39224165, 2689608,
21986159
 
#37

AsisChem: ASIS-0087
AsisChem Building Blocks: ASIS-0087
Bosche Scientific: V3525
PubChem: 29922673
ref: mol2, SDF, SMILES, flexibase
4.43,12.43,-20.42,1,7,0, 486.605, 9
21986157
 
#38

AsisChem: ASIS-0087
AsisChem Building Blocks: ASIS-0087
Bosche Scientific: V3525
PubChem: 29922671
ref: mol2, SDF, SMILES, flexibase
4.43,11.58,-21.3,1,7,0, 486.605, 9

Similar to: 26253036, 26253043, 34000944, 34000945, 39649299, ... 14 in total.
4214175
 
#39

AK Scientific: Q786
AsisChem: ASIS-0087
AsisChem Building Blocks: ASIS-0087
BioSynth: Q-101384
Ryan Scientific BB: 079-58198...20 total

ref: mol2, SDF, SMILES, flexibase
4.43,3.74,-19.44,1,7,0, 486.605, 9

Similar to: 11677970, 11677976, 11677979, 11677985, 11682142, ... 13 in total.
96007031
 
#40

AsisChem: ASIS-0087
AsisChem Building Blocks: ASIS-0087
ref: mol2, SDF, SMILES, flexibase
4.43,12.93,-20.34,1,7,0, 486.605, 9
19312536
 
#41

eMolecules: 629166
Molport: MolPort-001-030-159
Scientific Exchange (make on demand): X-062014
AKOS: AKOS000577020
Aldrich CPR: R414999|ALDRICH...32 total

ref: mol2, SDF, SMILES, flexibase
0.70,-3.37,-7.61,3,4,0, 201.266, 2

Similar to: 32156615, 203127, 1716863, 5083099, ... 4 in total.
38722758
 
#42

AsisChem: ASIS-0089
AsisChem Building Blocks: ASIS-0089
SureChEMBL: SCHEMBL913478
ref: mol2, SDF, SMILES, flexibase
6.15,13.11,-4.4,0,1,0, 381.313, 7

Similar to: 59997668, 59997669, 5812260, 5538759, 36723943, ... 9 in total.
26895710
 
#43

AK Scientific: 8622AA
Anward: ANW-71881
Ark Pharm Building Blocks: AK-63680
AsisChem: ASIS-0094
BePharm Building Blocks: B71730...19 total

ref: mol2, SDF, SMILES, flexibase
1.80,3.59,-6.66,0,2,0, 187.04, 0

Similar to: 39121241,
96007033
 
#44

AsisChem: ASIS-0095
AsisChem Building Blocks: ASIS-0095
ref: mol2, SDF, SMILES, flexibase
2.64,5.77,-12.68,1,6,0, 299.721, 4
96007035
 
#45

AsisChem: ASIS-0096
AsisChem Building Blocks: ASIS-0096
ref: mol2, SDF, SMILES, flexibase
3.65,5.43,-5.71,1,2,0, 230.307, 3
47516
 
#46

ChemMol: 44021399
eMolecules: 474432
AK Scientific: 0991AA
AKOS: AKOS000275988
Ark Pharm Building Blocks: AK-32731...48 total

ref: mol2, SDF, SMILES, flexibase
1.34,3.46,-10.14,1,4,0, 204.181, 1
hi: mol2, SDF, SMILES, flexibase
1.34,4.2,-36.62,0,4,-1, 203.173, 1

Similar to: 195518, 5825203,
35728268
 
#47

AsisChem: ASIS-0101
AsisChem Building Blocks: ASIS-0101
Chembo Pharma: KB-113192
Fluorochem: 316790
KeyOrganics: AS-5194...11 total

ref: mol2, SDF, SMILES, flexibase
2.34,6.21,-6.15,0,2,0, 178.622, 1
13980233
 
#48

AsisChem: ASIS-0102
PubChem: 11538809, 11538810
SureChEMBL: SCHEMBL2505702, SCHEMBL2608625
ref: mol2, SDF, SMILES, flexibase
-0.86,4.67,-22.57,0,6,1, 324.36, 0
5842585
 
#49

American Custom Chemicals Corp.: HCH0124094
AsisChem: ASIS-0103
CiVentiChem: CV-5020
Toronto Research Chemicals: A965300, A965302
Tractus: TRA0005556...27 total

ref: mol2, SDF, SMILES, flexibase
1.87,1.42,-11,1,7,0, 349.144, 3
mid: mol2, SDF, SMILES, flexibase
2.05,-0.37,-39.74,0,7,-1, 348.136, 3

Similar to: 11677497,
860
 
#50

ChemMol: 44033094
eMolecules: 27321366
Molport: MolPort-004-975-791
AK Scientific: X5074, X5075
AKOS: AKOS005146470...48 total

ref: mol2, SDF, SMILES, flexibase
3.16,-1.23,-8.69,0,4,0, 308.381, 4

Similar to: 35796682, 35879579, 35899912, 40950313, ... 4 in total.
39096922
 
#51

AsisChem: ASIS-0107
AsisChem Building Blocks: ASIS-0107
Chemstep: 54653
Element Store BB: b2star-101714-41-4
Enamine Building Blocks: EN300-209059...9 total

ref: mol2, SDF, SMILES, flexibase
0.79,1,-13.12,2,4,0, 209.226, 3
hi: mol2, SDF, SMILES, flexibase
0.79,1.92,-43.17,1,4,-1, 208.218, 3
4989736
 
#52

Anward: ANW-33426
AsisChem: ASIS-0108
Molport BB: MolPort-003-181-550
Tractus: TRA0072887
ChemDB: 4289801...7 total

ref: mol2, SDF, SMILES, flexibase
4.88,2.07,-6.69,0,2,0, 264.372, 2

Similar to: 32221908, 32267181,
38136964
 
#53

Molport: MolPort-013-979-097
AsisChem: ASIS-0110
AsisChem Building Blocks: ASIS-0110
Enamine Building Blocks: EN300-124537
Molport BB: MolPort-013-979-097...9 total

ref: mol2, SDF, SMILES, flexibase
-0.66,-1.94,-17.47,2,5,0, 167.186, 4
295395
 
#54

AKOS: AKOS000548111
AsisChem: ASIS-0114
AsisChem Building Blocks: ASIS-0114
Mcule: MCULE-2130968427
ChemDB: 5051535...9 total

ref: mol2, SDF, SMILES, flexibase
3.72,9.02,-8.88,2,3,0, 285.387, 3
21956509
 
#55

ChemMol: 97802930
AK Scientific: 3417AF
Ark Pharm Building Blocks: AK-82454
AsisChem: ASIS-0119
Chembo Pharma: KB-238091...21 total

ref: mol2, SDF, SMILES, flexibase
1.19,0.18,-9.31,3,4,0, 225.679, 1

Similar to: 36746322, 36781682, 42370349,
32599205
 
#56

AsisChem: ASIS-0123
Florida Heterocyclic Compounds: 423
ChemDB: 4662368
IBM Patent Data: 136097874
PubChem: 2724694...9 total

ref: mol2, SDF, SMILES, flexibase
1.59,2.74,-2.89,0,1,0, 149.284, 1

Similar to: 34386291, 5312086,
32599216
 
#57

AsisChem: ASIS-0129
Chemstep: 62369
Florida Heterocyclic Compounds: 779
ChemDB: 4662592
PubChem: 3529636...7 total

ref: mol2, SDF, SMILES, flexibase
1.89,3.24,-2.65,0,1,0, 163.311, 1

Similar to: 34386291, 5284711,
32599231
 
#58

AsisChem: ASIS-0130
Florida Heterocyclic Compounds: 1194
ChemDB: 4662853
PubChem: 40521664, 4269501
Ambinter: Amb10552897...6 total

ref: mol2, SDF, SMILES, flexibase
2.40,3.66,-2.52,0,1,0, 177.338, 1

Similar to: 34386291, 5284014,
13460492
 
#59

AsisChem: ASIS-0131
PubChem: 15425932
SureChEMBL: SCHEMBL15619977, SCHEMBL2915548
ref: mol2, SDF, SMILES, flexibase
0.97,0.58,-3.63,1,1,0, 121.23, 0
41325204
 
#60

AsisChem: ASIS-0133
ref: mol2, SDF, SMILES, flexibase
0.53,2.2,-10.09,2,4,0, 255.289, 5
41325206
 
#61

AsisChem: ASIS-0133
ref: mol2, SDF, SMILES, flexibase
0.53,1.52,-10.62,2,4,0, 255.289, 5
41325207
 
#62

AsisChem: ASIS-0133
ref: mol2, SDF, SMILES, flexibase
0.53,2.09,-9.7,2,4,0, 255.289, 5
32188861
 
#63

AKOS: AKOS000278809
Ark Pharm Building Blocks: AK-46873
AsisChem: ASIS-0137
Chembo Pharma: KB-54577
Enamine Building Blocks: EN300-190650...12 total

ref: mol2, SDF, SMILES, flexibase
2.47,4.82,-3.95,0,2,0, 176.624, 2

Similar to: 157090,
12648577
 
#64

ChemMol: 44018933
A&J Pharmtech: AJ-00134
AK Scientific: Z4785
AKOS: AKOS002391334
Aldrich CPR: CDS014028|ALDRICH...33 total

ref: mol2, SDF, SMILES, flexibase
3.34,5.23,-4.94,2,1,0, 222.085, 0

Similar to: 404275,
42783117
 
#65

Ark Pharm Building Blocks: AK-74112
AsisChem: ASIS-0139
Matrix Scientific: 050972
Tractus: TRA0123876
PubChem: 56831381...9 total

ref: mol2, SDF, SMILES, flexibase
2.80,4.98,-10.51,1,4,0, 269.728, 4
mid: mol2, SDF, SMILES, flexibase
2.80,6.17,-45.62,2,4,1, 270.736, 4
19926730
 
#66

AsisChem: ASIS-0140
Molport BB: MolPort-005-981-172
Ryan Scientific BB: 073-53937
Specs Building Blocks: AR-527/43405036
PubChem: 13454361...6 total

ref: mol2, SDF, SMILES, flexibase
3.05,7.16,-7.32,0,1,0, 227.101, 3

Similar to: 39293054, 39293056, 39307511,
5217244
 
#67

eMolecules: 43444535
AKOS: AKOS002232766
Aldrich CPR: S525723|ALDRICH
AsisChem: ASIS-0142
Chembo Pharma: KB-178022...31 total

ref: mol2, SDF, SMILES, flexibase
4.94,2.44,-7.4,0,1,0, 256.732, 3

Similar to: 5378727, 4293639,
45261546
 
#68

AsisChem: ASIS-0143
UORSY Make-on-demand: PB46028225
ChEMBL12: CHEMBL571313
ChEMBL19: CHEMBL571313
PubChem: 13432999...6 total

ref: mol2, SDF, SMILES, flexibase
4.07,9.35,-9.36,0,1,0, 244.24, 3

Similar to: 34634344, 6337317,
4280222
 
#69

eMolecules: 25848260
Scientific Exchange (make on demand): T-073336
AKOS: AKOS001324789
AsisChem: ASIS-0144
ChemBridge: 5248858...28 total

ref: mol2, SDF, SMILES, flexibase
4.03,3.04,-9.08,0,2,0, 256.276, 4

Similar to: 32118060, 32118061, 32266148,
5217248
 
#70

eMolecules: 43442928
Molport: MolPort-001-765-267
Scientific Exchange (make on demand): POD_14/0705
AK Scientific: 4554AE
AKOS: AKOS001073505...37 total

ref: mol2, SDF, SMILES, flexibase
4.32,2.6,-8.86,0,2,0, 252.313, 4

Similar to: 5284290, 6095733, 32126694, 38420400, 38440607, ... 8 in total.
2041197
 
#71

Scientific Exchange (make on demand): F-441542
Acros Organics: 10526
AK Scientific: X4433
Anward: ANW-39802
AsisChem: ASIS-0148...53 total

ref: mol2, SDF, SMILES, flexibase
5.46,11.29,-5.98,0,0,0, 228.294, 0
22309215
 
#72

ChemMol: 97900112
Active BioPharma: 194
AsisChem: ASIS-0149
Ryan Scientific: 048-04634
Ryan Scientific BB: 093-61931...20 total

ref: mol2, SDF, SMILES, flexibase
2.66,8.48,-17.36,2,7,0, 490.51, 6

Similar to: 34326018, 34358779, 34365819, 34365820, 34379946, ... 39 in total.
33433461
 
#73

AsisChem: ASIS-0151
Otava BB Make-to-order: 1376675
AsisChem BB (Depleted): ABBL-016850, F23261
PubChem: 16221270, 10911038
SureChEMBL: SCHEMBL8761273...8 total

ref: mol2, SDF, SMILES, flexibase
3.52,6.62,-6.13,0,2,0, 219.067, 3

Similar to: 39345740,
33433460
 
#74

AsisChem: ASIS-0151
Otava BB Make-to-order: 1376675
AsisChem BB (Depleted): ABBL-016850, F23261
PubChem: 16221503, 10911038
SureChEMBL: SCHEMBL10607544...9 total

ref: mol2, SDF, SMILES, flexibase
3.52,6.63,-6.1,0,2,0, 219.067, 3

Similar to: 39345740,
389755
 
#75

Aldrich CPR: S947520|ALDRICH
AsisChem: ASIS-0158
BOC Sciences BB: 176-32-9
Labotest: LTBB002730
Labotest Building Blocks: LTBB002730...17 total

ref: mol2, SDF, SMILES, flexibase
1.60,-0.92,-3.14,0,2,0, 128.171, 0

Similar to: 5858633, 34455162, 34596286, 34596287, 38250978, ... 6 in total.
5179833
 
#76

Aldrich CPR: T184225|ALDRICH, T180955|ALDRICH
AsisChem: ASIS-0159
NCI Plated 2007: 174688
TimTec: ST50441225
ChemDB: 5179170...7 total

ref: mol2, SDF, SMILES, flexibase
3.79,6.59,-1.28,0,1,0, 168.28, 3

Similar to: 5179834, 17003977, 17003979, 17003983, 17003988, ... 14 in total.
5179834
 
#77

Aldrich CPR: T180955|ALDRICH, T184225|ALDRICH
AsisChem: ASIS-0159
TimTec: ST50441225
ChemDB: 5179170
PubChem: 300329...6 total

ref: mol2, SDF, SMILES, flexibase
3.79,6.87,-1.54,0,1,0, 168.28, 3

Similar to: 17003977, 17003979, 17003983, 17003988, 34027454, ... 16 in total.
22113884
 
#78

ChemMol: 96708511, 2000096, 42303918
AK Scientific: HTS000393
Angene Building Blocks: AGN-PC-0QIY7W
Anward: ANW-73348
Apexmol Building Blocks: AM20090107...32 total

ref: mol2, SDF, SMILES, flexibase
1.46,5.47,-7.7,0,6,0, 272.345, 4

Similar to: 22113879,
22113879
 
#79

ChemMol: 96708511, 2000096, 42303918
AK Scientific: HTS000393
Angene Building Blocks: AGN-PC-0QIY7W
Anward: ANW-73348
Apexmol Building Blocks: AM20090107...32 total

ref: mol2, SDF, SMILES, flexibase
1.46,6.28,-10.51,0,6,0, 272.345, 4

Similar to: 22113884,
260175
 
#80

ChemMol: 1035997, 44026865
eMolecules: 969511
Molport: MolPort-001-494-614
Scientific Exchange (make on demand): R-081139
AK Scientific: S727...75 total

ref: mol2, SDF, SMILES, flexibase
1.43,3.84,-6.91,1,3,0, 160.176, 1
37391416
 
#81

AsisChem: ASIS-0170
PubChem: 21491380
SureChEMBL: SCHEMBL342396
Enamine BB Make on Demand: BBV-5727542
UORSY BB Make-on-demand: BBV-5727542...5 total

ref: mol2, SDF, SMILES, flexibase
2.88,6.85,-8.7,0,2,0, 223.703, 1
393821
 
#82

Aldrich CPR: S357308|ALDRICH
AsisChem: ASIS-0176
Chembo Pharma: KB-47129
NCI Plated 2007: 60212
Tetrahedron Building Blocks: TS05638...14 total

ref: mol2, SDF, SMILES, flexibase
-0.09,1.11,-14.01,1,4,0, 131.131, 2

Similar to: 34618171,
1599544
 
#83

ChemMol: 44007218
Acros Organics: 43657
AK Scientific: S971
Anward: ANW-30595
Ark Pharm Building Blocks: AK-99881...42 total

ref: mol2, SDF, SMILES, flexibase
1.53,2.64,-5.87,1,2,0, 166.22, 5

Similar to: 34563303, 34567817, 34599131, 34613730, 39244574, ... 6 in total.
5304790
 
#84

eMolecules: 4703543
Molport: MolPort-002-651-679
AKOS: AKOS005515675
AsisChem: ASIS-P002
IBScreen: STOCK5S-75310...11 total

ref: mol2, SDF, SMILES, flexibase
2.72,1.58,-23.13,1,6,0, 331.379, 2
5306176
 
#85

eMolecules: 4704034
Molport: MolPort-002-651-883
AKOS: AKOS005514326
AsisChem: ASIS-P003
IBScreen: STOCK5S-76068...11 total

ref: mol2, SDF, SMILES, flexibase
3.56,1.63,-22.89,1,6,0, 345.406, 3
1431623
 
#86

eMolecules: 1525792
Molport: MolPort-002-018-564
AKOS: AKOS000667010
Asinex: BAS10837967
AsisChem: ASIS-P004...21 total

ref: mol2, SDF, SMILES, flexibase
2.57,6.7,-22.49,1,7,0, 367.434, 3
1431624
 
#87

eMolecules: 1525794
Molport: MolPort-002-018-565
Scientific Exchange (make on demand): F-124566
AKOS: AKOS000667011
Asinex: BAS10837970...17 total

ref: mol2, SDF, SMILES, flexibase
2.82,-1.48,-23.25,0,7,0, 381.461, 3
5269397
 
#88

eMolecules: 4700906
Molport: MolPort-002-650-605
AKOS: AKOS005612727
AsisChem: ASIS-P006
IBScreen: STOCK5S-71643...10 total

ref: mol2, SDF, SMILES, flexibase
4.01,-2.5,-21.71,1,7,0, 409.515, 6
9451338
 
#89

eMolecules: 4698533
Molport: MolPort-002-649-616
AKOS: AKOS005611918
AsisChem: ASIS-P007
IBScreen: STOCK5S-68225...10 total

ref: mol2, SDF, SMILES, flexibase
4.72,-1.45,-19.15,0,7,0, 449.58, 4

Similar to: 33589178, 33589179,
9451146
 
#90

eMolecules: 4698242
Molport: MolPort-002-649-494
AKOS: AKOS005612930
AsisChem: ASIS-P008
IBScreen: STOCK5S-67805...10 total

ref: mol2, SDF, SMILES, flexibase
4.23,-1.76,-23.9,0,7,0, 435.553, 3

Similar to: 35511186,
1061621
 
#91

eMolecules: 2045403
Molport: MolPort-002-290-680
Scientific Exchange (make on demand): F-124575
AKOS: AKOS001756693
AsisChem: ASIS-P009...22 total

ref: mol2, SDF, SMILES, flexibase
3.97,10.55,-19.87,1,7,0, 443.532, 5
2348429
 
#92

eMolecules: 4688631
Molport: MolPort-002-645-546
Scientific Exchange (make on demand): F-124577
AKOS: AKOS003668014
AsisChem: ASIS-P011...19 total

ref: mol2, SDF, SMILES, flexibase
4.53,11.22,-22.95,1,7,0, 457.559, 5
2348427
 
#93

eMolecules: 4688631
Molport: MolPort-002-645-546
Scientific Exchange (make on demand): F-124577
AKOS: AKOS003668014
AsisChem: ASIS-P012...19 total

ref: mol2, SDF, SMILES, flexibase
4.53,11.28,-21.3,1,7,0, 457.559, 5
5303354
 
#94

eMolecules: 4703195
Molport: MolPort-002-651-545
AKOS: AKOS005612901
AsisChem: ASIS-P013
IBScreen: STOCK5S-74845...11 total

ref: mol2, SDF, SMILES, flexibase
2.74,-1.93,-24.63,1,7,0, 367.434, 3
hi: mol2, SDF, SMILES, flexibase
2.74,-1.47,-49.42,0,7,-1, 366.426, 3
9546069
 
#95

eMolecules: 4702203
Molport: MolPort-002-651-139
AKOS: AKOS005612916
AsisChem: ASIS-P014
IBScreen: STOCK5S-73474...11 total

ref: mol2, SDF, SMILES, flexibase
4.27,10.25,-18.3,1,7,0, 429.505, 4
hi: mol2, SDF, SMILES, flexibase
4.27,10.32,-44,0,7,-1, 428.497, 4

Similar to: 2397000, 5150945, 9453120,
9453120
 
#96

eMolecules: 4700042
Molport: MolPort-002-650-249
AKOS: AKOS005612917
AsisChem: ASIS-P015
IBScreen: STOCK5S-70465...11 total

ref: mol2, SDF, SMILES, flexibase
4.72,-1.47,-23.46,1,7,0, 443.532, 4
hi: mol2, SDF, SMILES, flexibase
4.72,-1.01,-55.33,0,7,-1, 442.524, 4

Similar to: 9546069, 2397000,
64837476
 
#97

Molport: MolPort-010-808-705
AsisChem: ASIS-P016
KeyOrganics Bioactives: CH-0025
BindingDB.org: 50397635
ChEMBL19: CHEMBL2181721...8 total

ref: mol2, SDF, SMILES, flexibase
3.43,6.42,-12.87,1,5,0, 334.441, 4
12370924
 
#98

AK Scientific: 9986AA
AKOS: AKOS000276589
Alfa-Aesar: H51824, H58755, H51704
AsisChem: PKCBB_00001
BOC Sciences BB: 19227-13-5...27 total

ref: mol2, SDF, SMILES, flexibase
0.70,1.84,-6.76,3,3,0, 150.181, 1

Similar to: 37078872,
12359654
 
#99

AKOS: AKOS003726088
Alfa-Aesar: H50683, H58744, H50682
AsisChem: PKCBB_00002
Chembo Pharma: KB-58303
Key Organics Building Blocks: CS-10301...23 total

ref: mol2, SDF, SMILES, flexibase
0.68,1.83,-6.65,3,3,0, 150.181, 1

Similar to: 38433911, 4268616,
95616608
 
#100

AsisChem: PKCBB_00003
Tractus: TRA0033064
AsisChem BB (Depleted): PKB-00003
Debye Scientific BB (Depleted): DB-065034
Frontier (Depleted): 500023723...5 total

ref: mol2, SDF, SMILES, flexibase
1.96,3.49,-6.29,3,3,0, 192.262, 2

Old detail retrieval took 1 seconds.

start 0 size 100

select distinct(s.sub_id),s.smiles from substance s, catalog_item ci, catalog c where s.sub_id = ci.sub_id_fk and ci.cat_id_fk = c.cat_id and c.free=1 and ( c.cat_id = 330 ) limit 0,100

Smiles were